Chemical Components in the PDB

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VPR : Summary

Code

VPR

One-letter code

X

Molecule name

2-PROPYLPENTANAMIDE

Synonyms

VALPROMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-propylpentanamide
OpenEye OEToolkits 1.5.0 2-propylpentanamide

Formula

C8 H17 N O

Formal charge

0

Molecular weight

143.227 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)C(CCC)CCC
SMILES CACTVS 3.341 CCCC(CCC)C(N)=O
SMILES OpenEye OEToolkits 1.5.0 CCCC(CCC)C(=O)N
Canonical SMILES CACTVS 3.341 CCCC(CCC)C(N)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CCCC(CCC)C(=O)N

IUPAC InChI

InChI=1S/C8H17NO/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H2,9,10)

IUPAC InChI key

OMOMUFTZPTXCHP-UHFFFAOYSA-N
VPR

wwPDB Information

Atom count

27 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-02-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned